SCHEMBL4023064

SCHEMBL4023064

COc1ccc2c(C(=O)C(=O)N(CC(=O)O)CC(=O)N(C3CCCCC3)C3CCCCC3)csc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MPI P34949 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
DYRK1A Q13627 1/20 0.35
SLC6A9 P48067 2/20 0.34
SLC6A5 Q9Y345 1/20 0.34
TSHR P16473 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3942190 0.84 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1S1PR1S1PR3
SCHEMBL4023069 0.81 MAPT (0.34) ALDH1A1MAPTL3MBTL1MTNR1AMTNR1B
SCHEMBL4023062 0.77 MAPT (0.38) ALDH1A1MAPTL3MBTL1MTNR1AMTNR1B
SCHEMBL4158477 0.76 MAPT (0.60) ALDH1A1MAPTL3MBTL1TSHRKDM4E
SCHEMBL4211551 0.75 MAPT (0.59) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL4023072 0.75 MAPT (0.40) ALDH1A1MAPTTSHRMEN1HTT
SCHEMBL3950434 0.74 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1TSHRKDM4E
SCHEMBL3941329 0.74 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1TSHRKDM4E
SCHEMBL3950369 0.74 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1MTNR1AMTNR1B
SCHEMBL3950920 0.73 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1TSHRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed